{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.49393 0 0 ] "si-unit" "m" "si-value" [ 5.49393e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.002595 5.45604 0 ] "si-unit" "m" "si-value" [ 2.595e-13 5.45604e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698117 0.0748179 5.57684 ] "si-unit" "m" "si-value" [ -6.981170000000001e-12 7.48179e-12 5.57684e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0568347 0.000259582 0.0366732 ] [ 1.4042 1.34788 1.25876 ] [ -0.0116956 2.70772 2.89683 ] [ 1.4664 4.01047 4.21293 ] [ 2.72042 0.0465962 2.58375 ] [ 4.04434 1.40284 4.02526 ] [ 2.59741 2.72967 0.138309 ] [ 4.11134 4.10597 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.683470000000001e-12 2.59582e-14 3.66732e-12 ] [ 1.4042e-10 1.34788e-10 1.25876e-10 ] [ -1.16956e-12 2.70772e-10 2.89683e-10 ] [ 1.4664e-10 4.01047e-10 4.21293e-10 ] [ 2.72042e-10 4.65962e-12 2.583750000000001e-10 ] [ 4.04434e-10 1.40284e-10 4.02526e-10 ] [ 2.59741e-10 2.72967e-10 1.38309e-11 ] [ 4.11134e-10 4.10597e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4756704 -0.6815994 -3.6228974 ] [ -6.3941305 -1.6829811 5.3548089 ] [ 2.3053826 1.0666832 -4.3936337 ] [ -4.4086408 4.9264832 -2.2558537 ] [ 0.7265759 -1.4397789 2.6228271 ] [ -2.6509876 -0.9989175 4.2609885 ] [ 9.1040208 0.47845 -3.2882238 ] [ -0.1578908 -1.6683395 1.3219841 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.364284634365433e-09 -1.092042632428419e-09 -5.804521561659351e-09 ] [ -1.024452648184674e-08 -2.696432993883617e-09 8.579349699115242e-09 ] [ 3.693630134150168e-09 1.709014898920349e-09 -7.039377252494964e-09 ] [ -7.063421277459067e-09 7.893096270833548e-09 -3.614276087862446e-09 ] [ 1.164102929807521e-09 -2.306780111706222e-09 4.20223229464198e-09 ] [ -4.247350389743738e-09 -1.600442277793695e-09 6.826856212442708e-09 ] [ 1.458624940120999e-08 7.665614105372999e-10 -5.268315339722689e-09 ] [ -2.529689504835672e-10 -2.672974564479243e-09 2.118052035539519e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.954266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.440073160982064e-18 } }